[gmx-users] g_rdf -surf

Payman Pirzadeh ppirzade at ucalgary.ca
Mon Feb 13 07:54:06 CET 2012


Hello,

I am trying to calculate the RDF of water next to surface of certain
residues. I used the an index file which includes the residues as the first
group, and the #12 option (SOL) in the g_rdf, and used the option '-surf
res' on the prompt. However, the calculated RDF rises up to 41000 in long
distances. It appears that it is normalized (as specified by the help). How
can I normalize this function?

Best,

 

Paymon

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